N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide

C17H23FN2OS — CID 119303673

IUPACN-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCCCC1)C1CSCN1
InChIInChI=1S/C17H23FN2OS/c18-14-6-4-13(5-7-14)17(8-2-1-3-9-17)11-19-16(21)15-10-22-12-20-15/h4-7,15,20H,1-3,8-12H2,(H,19,21)
InChIKeyYQESABFWPWRVPX-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.81
Rot. Bonds4

About N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide

N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 119303673) has the molecular formula C17H23FN2OS and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID119303673
Molecular FormulaC17H23FN2OS
Molecular Weight322.45 g/mol
Exact Mass322.15
IUPAC NameN-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCCCC1)C1CSCN1
InChIInChI=1S/C17H23FN2OS/c18-14-6-4-13(5-7-14)17(8-2-1-3-9-17)11-19-16(21)15-10-22-12-20-15/h4-7,15,20H,1-3,8-12H2,(H,19,21)
InChIKeyYQESABFWPWRVPX-UHFFFAOYSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119303951
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide
CID 119303685
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide
CID 119310485
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119302310
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119761154
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]morpholine-3-carboxamide
CID 119731196
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 81434148
N-[(1-phenylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 110481276
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide
CID 119310492
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-3-carboxamide
CID 119293577
N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 105417283
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119293576

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide (CID 119303673) is N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide is O=C(NCC1(c2ccc(F)cc2)CCCCC1)C1CSCN1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is YQESABFWPWRVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2OS/c18-14-6-4-13(5-7-14)17(8-2-1-3-9-17)11-19-16(21)15-10-22-12-20-15/h4-7,15,20H,1-3,8-12H2,(H,19,21).
What are the key properties of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide?
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119303673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).